[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

C18H26N6O2 — CID 128989156

IUPAC[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1nn(C)cc1C(=O)N1CCN(C)C(c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H26N6O2/c1-11(2)15-13(9-23(4)20-15)18(25)24-8-7-22(3)14(10-24)17-19-16(21-26-17)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyPLLDLIAMAGDULS-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.93
Rot. Bonds4

About [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 128989156) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
PubChem CID128989156
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1nn(C)cc1C(=O)N1CCN(C)C(c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H26N6O2/c1-11(2)15-13(9-23(4)20-15)18(25)24-8-7-22(3)14(10-24)17-19-16(21-26-17)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyPLLDLIAMAGDULS-UHFFFAOYSA-N
XLogP1.93
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (CID 128989156) is [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is CC(C)c1nn(C)cc1C(=O)N1CCN(C)C(c2nc(C3CC3)no2)C1.
What is the InChIKey of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is PLLDLIAMAGDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11(2)15-13(9-23(4)20-15)18(25)24-8-7-22(3)14(10-24)17-19-16(21-26-17)12-5-6-12/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 128989156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).